(E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-5-fluoranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromanyl-5-fluoranyl-2-oxidanyl-phenyl)-2-methyl-prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxy-phenyl)-2-methyl-prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2-methyl-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxyphenyl)-2-methylprop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-(3-bromo-5-fluoro-2-hydroxy-phenyl)-2-methyl-prop-2-en-1-one Formula: C17H12BrFO4 MolecularWeight: 379.177183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=CC(=C3O)Br)F

Isomeric SMILES

C/C(=C\C1=CC2=C(C=C1)OCO2)/C(=O)C3=CC(=CC(=C3O)Br)F

InChI

InChI=1S/C17H12BrFO4/c1-9(4-10-2-3-14-15(5-10)23-8-22-14)16(20)12-6-11(19)7-13(18)17(12)21/h2-7,21H,8H2,1H3/b9-4+